1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C14H25N3O2 — CID 116704464

IUPAC1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCOC(C)(C)c1noc(CC2(N)CCCCC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-18-13(2,3)12-16-11(19-17-12)10-14(15)8-6-5-7-9-14/h4-10,15H2,1-3H3
InChIKeyMQHYMKQFUTYQGE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.55
Rot. Bonds5

About 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 116704464) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID116704464
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCOC(C)(C)c1noc(CC2(N)CCCCC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-18-13(2,3)12-16-11(19-17-12)10-14(15)8-6-5-7-9-14/h4-10,15H2,1-3H3
InChIKeyMQHYMKQFUTYQGE-UHFFFAOYSA-N
XLogP2.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 93675388
1-[[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 103145952
1-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103145975
1-[[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 103146083
1-[[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 103146227
1-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103146251
1-[[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 103146367
1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 103146413
1-[[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 103472364
1-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103472435
N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 103472557
1-[[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 103472642

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 116704464) is 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CCOC(C)(C)c1noc(CC2(N)CCCCC2)n1.
What is the InChIKey of 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is MQHYMKQFUTYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-18-13(2,3)12-16-11(19-17-12)10-14(15)8-6-5-7-9-14/h4-10,15H2,1-3H3.
What are the key properties of 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 116704464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).